SCHEMBL4974171

SCHEMBL4974171

CC(=O)NCC1CCC(Nc2nc(Nc3ccc(CN4CCOCC4)cc3C)nc3[nH]cnc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.48
TYRO3 Q06418 5/20 0.42
MERTK Q12866 5/20 0.42
FLT3 P36888 4/20 0.42
GAS6 Q14393 4/20 0.42
S1PR1 P21453 1/20 0.42
AXL P30530 3/20 0.41
LRRK2 Q5S007 1/20 0.40
SYK P43405 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4979254 0.89 TTK (0.58) TTKTYRO3MERTKFLT3GAS6
SCHEMBL4979267 0.88 TTK (0.51) TTKTYRO3MERTKAXLLRRK2
SCHEMBL4766935 0.87 TTK (0.45) TTKLRRK2
SCHEMBL4766540 0.86 TTK (0.57) TTK
SCHEMBL4979599 0.83 MERTK (0.51) TTKMERTKAXLSYK
SCHEMBL4974126 0.82 TTK (0.45) TTKMERTKLRRK2
SCHEMBL4973381 0.82 TTK (0.46) TTKMERTKSYK
SCHEMBL2947265 0.81 TTK (0.59) TTK
SCHEMBL4975548 0.81 TTK (0.59) TTK
SCHEMBL2947263 0.81 TTK (0.59) TTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 TTK 4589/4885TYRO3 2982/4885MERTK 1662/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.